methyl 2-[3-azanyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: methyl 2-[3-azanyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,2,4-triazol-4-yl]ethanoate Openeye Name: methyl 2-[3-amino-5-(2-methoxy-2-oxo-ethyl)sulfanyl-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-amino-5-[(2-methoxy-2-oxoethyl)thio]-1,2,4-triazol-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-amino-5-(2-methoxy-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-amino-5-[(2-keto-2-methoxy-ethyl)thio]-1,2,4-triazol-4-yl]acetic acid methyl ester Formula: C8H12N4O4S MolecularWeight: 260.27028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=NN=C1SCC(=O)OC)N

Isomeric SMILES

COC(=O)CN1C(=NN=C1SCC(=O)OC)N

InChI

InChI=1S/C8H12N4O4S/c1-15-5(13)3-12-7(9)10-11-8(12)17-4-6(14)16-2/h3-4H2,1-2H3,(H2,9,10)